* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/02/83/01/2007jmw0004.mol" Structure: 1 InChI=1/C9H9ClN2/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6H2,1H3 AuxInfo=1/0/N:3,19,15,17,13,9,14,10,12,21,6,8/rA:21nHHCHHNHNCCHCCCCHCHCHCl/rB:;s1s2;;s3;;;s3s6;s4s7;d6s9;;s8;s11d12;s10s12;s13;s15;d14;s17;d15s17;s19;s9;/rC:1.1608,2.4701,-2.2192;-.0372,3.3223,-1.5868;.6967,2.7039,-1.3883;-3.3306,-.0108,-.7873;1.3266,3.1317,-.7715;-1.1682,1.2228,-.8598;-2.6782,-1.474,-.7186;.1676,1.5105,-.7824;-2.6916,-.5811,-.2909;-1.3314,.0226,-.3492;2.8567,1.0041,-.134;.8536,.4849,-.2347;2.2223,.3264,.068;-.0914,-.5298,.0675;2.5948,-.8429,.6636;3.5114,-.9806,.8718;.3193,-1.7171,.6797;-.3041,-2.4049,.8816;1.6592,-1.86,.9821;1.9591,-2.6528,1.4109;-3.231,-.7401,1.4445;